1-dimethylphosphoryldecane

C12H27OP — CID 3492020

IUPAC1-dimethylphosphoryldecane
SMILESCCCCCCCCCCP(C)(C)=O
InChIInChI=1S/C12H27OP/c1-4-5-6-7-8-9-10-11-12-14(2,3)13/h4-12H2,1-3H3
InChIKeyGSVLCKASFMVUSW-UHFFFAOYSA-N
MW218.32 g/mol
LogP4.75
Rot. Bonds9

About 1-dimethylphosphoryldecane

1-dimethylphosphoryldecane (PubChem CID 3492020) has the molecular formula C12H27OP and a molecular weight of 218.32 g/mol. Its IUPAC name is 1-dimethylphosphoryldecane.

Molecular Properties

Compound Name1-dimethylphosphoryldecane
PubChem CID3492020
Molecular FormulaC12H27OP
Molecular Weight218.32 g/mol
Exact Mass218.18
IUPAC Name1-dimethylphosphoryldecane
SMILESCCCCCCCCCCP(C)(C)=O
InChIInChI=1S/C12H27OP/c1-4-5-6-7-8-9-10-11-12-14(2,3)13/h4-12H2,1-3H3
InChIKeyGSVLCKASFMVUSW-UHFFFAOYSA-N
XLogP4.75
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 1-dimethylphosphoryldecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-dimethylphosphoryldecane?
The IUPAC name of 1-dimethylphosphoryldecane (CID 3492020) is 1-dimethylphosphoryldecane.
What is the SMILES notation for 1-dimethylphosphoryldecane?
The canonical SMILES for 1-dimethylphosphoryldecane is CCCCCCCCCCP(C)(C)=O.
What is the InChIKey of 1-dimethylphosphoryldecane?
The InChIKey is GSVLCKASFMVUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27OP/c1-4-5-6-7-8-9-10-11-12-14(2,3)13/h4-12H2,1-3H3.
What are the key properties of 1-dimethylphosphoryldecane?
1-dimethylphosphoryldecane has a molecular weight of 218.32 g/mol, XLogP of 4.75, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dimethylphosphoryldecane is sourced from PubChem (CID 3492020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).